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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL479432
CHEMBL479432
Compound Name FEBRIFUGINE
ChEMBL Synonyms Febrifugine
Max Phase 0
Trade Names
Molecular Formula C16H19N3O3

Additional synonyms for CHEMBL479432 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3ccccc3C2=O
Standard InChI InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18 ...
Download InChI
Standard InChI Key FWVHWDSCPKXMDB-LSDHHAIUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL479432

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.3 301.1426 0.24 4 82 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.75 1.75 .31 1 22 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL479432. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FWVHWDSCPKXMDB-LSDHHAIUSA-N
Wikipedia Febrifugine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL479432



Brenda 194521
ChEBI 4994
IBM Patent System C97233E41E9525F3A58A13D351B2D28E
KEGG Ligand C10677
Nikkaji J17.088G
PubChem 63224
PubChem: Thomson Pharma 87794459 15951233
SureChEMBL SCHEMBL142773
ZINC ZINC000001571580

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FWVHWDSCPKXMDB-LSDHHAIUSA-N spacer
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